Lithium Thiocyanate HydrateCAS #: 123333-85-7

Synonyms

 Lithium rhodanide

Compound Formula: CH2LiNOS 

Molecular Weight: 83.04 

Appearance: White to off-white solid 

Melting Point: N/A 

Boiling Point: N/A 

Density: N/A 

Solubility in H2O: N/A 

Exact Mass: 83.001714 

Monoisotopic Mass: 83.001714

Product Introduction: Lithium Nickel Cobalt Manganese Oxide (NCM 111, CAS #: 123333-85-7)

Lithium Nickel Cobalt Manganese Oxide (LiNi₁/₃Co₁/₃Mn₁/₃O₂), commonly referred to as NCM 111 and identified by CAS number 123333-85-7, is a high-performance cathode material for lithium-ion batteries. This ternary compound combines nickel (Ni), cobalt (Co), manganese (Mn), lithium (Li), and oxygen (O) in a balanced 1:1:1 ratio, offering an optimal blend of energy density, stability, and power output. Its layered crystal structure enables efficient lithium-ion intercalation, making it a preferred choice for applications demanding high energy storage capacity, such as electric vehicles and portable electronics.

Chemical & Physical Properties

NCM 111 exhibits a set of properties that distinguish it as a leading cathode material:

Crystal Structure: Adopts a hexagonal layered structure (α-NaFeO₂ type), with lithium ions occupying interlayer sites and transition metals (Ni, Co, Mn) forming a tightly packed octahedral framework. This structure supports rapid lithium-ion diffusion, critical for high-rate performance.

Voltage Profile: Delivers a nominal voltage of ~3.6 V vs. Li⁺/Li, with a discharge capacity ranging from 150–160 mAh/g, balancing energy density and cycle life.

Thermal Stability: Shows moderate thermal stability compared to cobalt-rich cathodes, with a decomposition temperature around 210°C, reducing the risk of thermal runaway when paired with proper battery design.

Electrochemical Kinetics: Enables high-rate charging and discharging, making it suitable for applications requiring quick energy delivery, such as electric vehicle acceleration.

Mechanical Properties: Possesses good structural integrity, maintaining its layered framework over hundreds of charge-discharge cycles, minimizing capacity fade.

Key Applications in Energy Storage

Lithium Nickel Cobalt Manganese Oxide (CAS 123333-85-7) is widely used in energy storage systems, leveraging its balanced performance:

Electric Vehicles (EVs) and Plug-in Hybrid Electric Vehicles (PHEVs): Serves as a primary cathode material in EV batteries, offering high energy density (enabling longer driving ranges) and reliable power output. Its stability under repeated cycling makes it ideal for automotive applications.

Portable Electronics: Powers high-end devices such as laptops, tablets, and drones, where its combination of energy density and compact size supports extended runtime and lightweight design.

Energy Storage Systems (ESS): Used in medium to large-scale stationary storage, including residential and commercial backup power, due to its consistent performance over thousands of cycles.

Specialty Batteries: Deployed in medical devices and aerospace systems, where reliability, energy density, and safety are critical.

Advantages Over Alternative Cathode Materials

NCM 111 outperforms many alternative cathode materials in key areas:

Balanced Performance: Offers a superior blend of energy density (higher than LiFePO₄) and safety (better than LiCoO₂), addressing the trade-offs between power and stability.

Cost-Effectiveness: Reduces reliance on expensive cobalt compared to LiCoO₂ by incorporating nickel and manganese, lowering material costs while maintaining performance.

Cycle Life: Supports 1,000–2,000 charge-discharge cycles with minimal capacity loss, ensuring long-term durability in demanding applications.

Scalability: Compatible with existing lithium-ion battery manufacturing processes, enabling easy integration into large-scale production lines.

Synthesis & Quality Control

NCM 111 is synthesized using advanced methods to ensure uniform composition and structure:

Precursor Preparation: Nickel, cobalt, and manganese salts (e.g., hydroxides or carbonates) are coprecipitated in a 1:1:1 molar ratio to form a uniform ternary hydroxide precursor (Ni₁/₃Co₁/₃Mn₁/₃(OH)₂).

Lithiation: The precursor is mixed with lithium carbonate (Li₂CO₃) or lithium hydroxide (LiOH) and calcined at 700–900°C in air, inducing a solid-state reaction to form the layered LiNi₁/₃Co₁/₃Mn₁/₃O₂ structure.

Post-Processing: Annealing and grinding steps refine particle size (typically 5–20 μm) and improve crystallinity, enhancing lithium-ion diffusion and electrochemical performance.

Quality control includes X-ray diffraction (XRD) for phase purity, inductively coupled plasma (ICP) spectroscopy for elemental ratio verification, and electrochemical testing to confirm capacity and cycle stability.

Safety & Handling

Proper handling of NCM 111 is essential to maintain performance and ensure safety:

Moisture Sensitivity: Reacts with moisture to form lithium hydroxide, which can cause clumping and reduce electrochemical activity; store in dry, sealed containers under inert atmosphere.

Toxicity: Contains cobalt, a potentially toxic heavy metal; avoid inhalation of dust and direct skin contact, using gloves, goggles, and respiratory protection during handling.

Oxidative Potential: Acts as an oxidizer; keep away from combustible materials, reducing agents, and strong acids to prevent unwanted reactions.

Refer to the product’s Safety Data Sheet (SDS) for detailed safety guidelines.

Packaging & Availability

We offer NCM 111 (CAS 123333-85-7) in powder form, packaged in moisture-resistant bags (1kg–25kg) or drums (50kg–500kg) with inert gas purging to prevent degradation. Custom particle sizes and surface modifications are available to meet specific battery design requirements.

For technical specifications, bulk pricing, or sample requests, contact our sales team, specializing in advanced cathode materials for energy storage.

Health & Safety Information

 Signal Word: Warning 

Hazard Statements: H302-H315-H319-H335 

Hazard Codes: Xn 

Risk Codes: 20/21/22-32-52/53 

Safety Statements: 13-36/37-46-61 

RTECS Number: N/A 

Transport Information: N/A 

WGK Germany: 2

Chemical Identifiers

 Linear Formula: LiSCN • xH2O 

Pubchem CID: 16211966 

MDL Number: MFCD00149773 

EC No.: 209-135-1 

IUPAC Name: lithium; thiocyanate; hydrate 

Beilstein/Reaxys No.: 3623307 

SMILES: [Li+].O.[S-]C#N 

InchI Identifier: InChI=1S/CHS.Li.H2O/c2-1-3;;/h3H;;1H2/q;+1;/p-1 

InchI Key: UNTVNJAFDYEXLD-UHFFFAOYSA-M

Packing of Standard Packing: 

Typical bulk packaging includes palletized plastic 5 gallon/25 kg. pails, fiber and steel drums to 1 ton super sacks in full container (FCL) or truck load (T/L) quantities. Research and sample quantities and hygroscopic, oxidizing or other air sensitive materials may be packaged under argon or vacuum. Solutions are packaged in polypropylene, plastic or glass jars up to palletized 735 gallon liquid totes Special package is available on request.